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Centanafadine Hydrochloride

CAT: 0572-TRC-C256620-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C256620-100MGSize:100 mg
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CAS Number
923981-14-0
Synonyms
Centanafadine Hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.C1NC[C@@]2(C[C@H]12)c3ccc4ccccc4c3
Molecular Formula
C15 H15 N . Cl H
Molecular Weight
245.747
InChI
InChI=1S/C15H15N.ClH/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15;/h1-7,14,16H,8-10H2;1H/t14-,15+;/m1./s1
Additionnal Information
IUPAC name: (1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Centanafadine Hydrochloride

See also: Centanafadine (annotation moved to).

CAS Number923981-14-0
PubChem CID68943792
IUPAC Name(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride
Molecular FormulaC15H16ClN
Molecular Weight245.74
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity287
SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3.Cl
InChI
InChI=1S/C15H15N.ClH/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15;/h1-7,14,16H,8-10H2;1H/t14-,15+;/m1./s1
InChIKey
ACVMJAJGCQUPKX-LIOBNPLQSA-N
Chemical Structure
2D Structure
2D structure of Centanafadine Hydrochloride
CAS: 923981-14-0
CID: 68943792
Formula: C15H16ClN
MW: 245.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass245.0971272
Monoisotopic Mass245.0971272
Topological Polar Surface Area12 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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